N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide

C11H21NO2S — CID 107318890

IUPACN-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NCCCCCO)CCCS1
InChIInChI=1S/C11H21NO2S/c1-11(6-5-9-15-11)10(14)12-7-3-2-4-8-13/h13H,2-9H2,1H3,(H,12,14)
InChIKeyWQANTLSSRZEOGD-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.55
Rot. Bonds6

About N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide

N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide (PubChem CID 107318890) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide
PubChem CID107318890
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NCCCCCO)CCCS1
InChIInChI=1S/C11H21NO2S/c1-11(6-5-9-15-11)10(14)12-7-3-2-4-8-13/h13H,2-9H2,1H3,(H,12,14)
InChIKeyWQANTLSSRZEOGD-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide (CID 107318890) is N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide is CC1(C(=O)NCCCCCO)CCCS1.
What is the InChIKey of N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide?
The InChIKey is WQANTLSSRZEOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-11(6-5-9-15-11)10(14)12-7-3-2-4-8-13/h13H,2-9H2,1H3,(H,12,14).
What are the key properties of N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide?
N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide has a molecular weight of 231.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 107318890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).